In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2011 | 37 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 5.64 | 14.63 | -41.04 | 1 | 8 | 0 | 93 | 510.631 | 12 | ↓ |
Hi High (pH 8-9.5) | 5.64 | 12.87 | -49.63 | 0 | 8 | -1 | 91 | 509.623 | 12 | ↓ |